Molecular Aggregation

Structure Analysis and Molecular Simulation of Crystals and Liquids

AvAngelo Gavezzotti

Häftad, Engelska, 2013

Del 19 i serien International Union of Crystallography Monographs on Crystallography

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Beskrivning

This book is divided in two parts. Part I provides a brief but accurate summary of all the basic ideas, theories, methods, and conspicuous results of structure analysis and molecular modelling of the condensed phases of organic compounds: quantum chemistry, the intermolecular potential, force field and molecular dynamics methods, structural correlation, and thermodynamics. This Part is written in simple and intuitive form, so that the reader may easily find there the essential background for the discussions in the second part. Part II exposes the present status of studies in the analysis, categorization, prediction and control, at a molecular level, of intermolecular interactions in liquids, solutions, mesophases, and crystals. The main focus is here on the links between energies, structures, and chemical or physical properties.

Produktinformation

Utgivningsdatum:2013-04-18
Mått:169 x 234 x 22 mm
Vikt:766 g
Format:Häftad
Språk:Engelska
Serie:International Union of Crystallography Monographs on Crystallography
Antal sidor:446
Förlag:OUP OXFORD
ISBN:9780199673650
Utmärkelser:Winner of the 2007 Trueblood Award of the American Crystallographic Association

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Mer om författaren

Professor Angelo GavezzottiLaurea (degree) in Chemistry, 1968, University of Milano1972 Lecturer in Physical and Theoretical Chemistry, University of Milano1983 Associate Professor of Physical Chemistry, University of Milano 1987 Professor of Physical Chemistry, University of Milano1973-74 Research term at Centre Europeen de Calcul Atomique et Moleculaire, Orsay (Paris);1977-78 Research term at the Department of Chemistry, University of Michigan (with L.S.Bartell)Coeditor, Acta Crystallographica (1988-1991)Author or coauthor of about 120 full papers in properly refereed journals or books with international editorship (mean of 2.2 authors per publication) Author of widely disseminated computer program packagesInvited speaker at congresses, meetings, or for lectures and seminars in Universities and Chemical Companies worldwide Fellow of the Royal Society of Chemistry (2005)

Recensioner i media

Fills a gap in the market ... original and very topical, touching on the areas of molecular structure analysis, applied quantum theory, intermolecular forces, molecular dynamics, all with emphasis on the condensed states of matter.

Innehållsförteckning

PART I: FUNDAMENTALS; PART II: THE FRONTIER

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